2-chloranyl-2-[3-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)-5,7-dimethyl-1-adamantyl]ethanoic acid

Systemtic Name: 2-chloranyl-2-[3-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)-5,7-dimethyl-1-adamantyl]ethanoic acid Openeye Name: 2-chloro-2-[3-(1-chloro-2-hydroxy-2-oxo-ethyl)-5,7-dimethyl-1-adamantyl]acetic acid CAS Name: 2-chloro-2-[3-(1-chloro-2-hydroxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetic acid IUPAC Name: 2-chloro-2-[3-(1-chloro-2-hydroxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetic acid Traditional Name: 2-chloro-2-[3-(1-chloro-2-hydroxy-2-keto-ethyl)-5,7-dimethyl-1-adamantyl]acetic acid Formula: C16H22Cl2O4 MolecularWeight: 349.24948

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)Cl)C(C(=O)O)Cl)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)Cl)C(C(=O)O)Cl)C

InChI

InChI=1S/C16H22Cl2O4/c1-13-3-14(2)6-15(4-13,9(17)11(19)20)8-16(5-13,7-14)10(18)12(21)22/h9-10H,3-8H2,1-2H3,(H,19,20)(H,21,22)